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Contact Name
Teguh Endah Saraswati
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teguh.kimia@staff.uns.ac.id
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alchemy@mipa.uns.ac.id
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Department of Chemistry, Faculty of Mathematics and Natural Sciences, Sebelas Maret University
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Kota surakarta,
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INDONESIA
ALCHEMY Jurnal Penelitian Kimia
ISSN : 14124092     EISSN : 24434183     DOI : -
ALCHEMY Jurnal Penelitian Kimia is a chemistry journal published by Sebelas Maret University, Surakarta. ALCHEMY Jurnal Penelitian Kimia publishes original research articles or review articles in organic chemistry, inorganic chemistry, analytical chemistry, physical chemistry, biochemistry, and environmental chemistry.
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Articles 306 Documents
Antibacterial Activity Test of Extract Nyamplung (Calophyllum inophyllum Linn.) Leaves Mutiara Novianti; Qurrotul Aini; Irma Fadhila Putri
ALCHEMY Jurnal Penelitian Kimia Vol 11, No 2 (2015): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.11.2.718.200-210

Abstract

Phytochemical screening and antibacterial activity from ethanol extract of nyamplung (Callophylum inophyllum Linn.) leaves from Indonesia against Escherichia coli has been done. The extraction was done by soklet extraction using ethanol. Antibacterial activity test using the Optical Density method at λmax 600 nm. The result of phytochemical screening from ethanol extract showed that there were flavonoid compounds, saponins, tannins, phenols and triterpenoids. The result of antibacterial activity test showed that the optimum activity occurs at incubation time of 3 hours with percentase inhibition persentase i.e. 59.03 %.
Isolation of Silica-Lignin Composites from Rice Husk and Their Adsorption to Cr(VI) Yati B. Yuliyati; Seli Listiani; Solihudin Solihudin; Atiek Rostika Noviyanti
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.19818.267-276

Abstract

Rice husk is the most abundant agricultural waste in Indonesia. It can be used as a precursor for multifunctional materials such as silica-lignin composite for adsorbents. Silica-lignin can reduce heavy metal content in an industrial waste, such as the content of Cr(VI). This study aims to isolate and characterize silica-lignin composite, and determines the isotherm type of silica-lignin for hexavalent chromium adsorption. The isolation from rice husk used an alkali extraction method. Confirmation of typical functional groups in the silica-lignin composite was characterized by FTIR, while the morphology was characterized by SEM, respectively. The results reveal that the silica-lignin isolation was successfully performed.  FTIR spectra indicate a typical wavenumber of the silica-lignin.  The SEM image of the composite showed homogeneous morphology. The silica-lignin adsorption process on hexavalent chromium followed a Brunauer–Emmett–Teller (BET) isotherm type indicated by multilayer adsorption with a surface area of 948.8421 mg. g-1.
Optimization of Rhodamine B Decolorization by Adsorption and Photoelectrodegradation Combination System Sayekti Wahyuningsih; Velina Anjani; Hanik Munawaroh; Candra Purnawan
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.16440.277-290

Abstract

A combination of adsorption and photoelectrodegradation system was performed to reduce the concentration of Rhodamine B dye in water. The adsorption was conducted using silica and alumina activated by acid and base under various predetermined pH of Rhodamine B. The photoelectrodegradation process was performed using Ti/TiO2 electrode as a cathode and Ti/TiO2-NiO as an anode. TiO2 was synthesized from titanium tetra-isopropoxide precursor (TTiP) by sol-gel method. TiO2-NiO composite was synthesized with the same precursor with the addition of Ni(NO3)2.6H2O. The result shows that the activation changes the amount of OH total in the adsorbent. The acid-activated adsorbent showed an optimum adsorption activity when Rhodamine B was in base condition caused by zwitter ionic structure. It reversely occured to base-activated adsorbent where an optimum absorption activity reached at acid condition. The application of base-activated silica in adsorption and photoelectrodegradation combination system decreased the concentration of Rhodamine B dye up to 98.79% using photoanode Ti/TiO2-NiO under pH 2 at bias potential 6 V.
Efek Komposisi Bioadsorben α-Keratin/Alginat Terhadap Kapasitas Adsorpsi Logam Berat Besi (Fe) Elsa Ninda Karlinda Putri; Syahna Febrianastuti; Easy Vicky Maylinda; Ganjar Fadillah; Candra Purnawan
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.11410.323-333

Abstract

Penelitian terkait pengaruh komposisi α-keratin/alginat terhadap kapasitas adsorpsi logam berat besi (Fe) telah dilakukan. Penelitian ini bertujuan untuk mengetahui karakter dan optimasi adsorpsi dari bioadsroben komposit α-keratin/alginat terhadap daya serap logam berat Fe dalam larutan air. Proses preparasi bioadsorben α-keratin/alginat dilakukan dengan metode enkapsulasi pada larutan CaCl2 2% (b/v). Karakterisasi bioadsorben dilakukan menggunakan Fourier Transform Infra-Red (FTIR), Scanning Electron Microscopy (SEM) dan proses adsorbsi dilakukan dengan metode batch. Hasil karakterisasi IR pada komposit α-keratin/alginat menunjukkan terdapatnya serapan pada bilangan gelombang 1140-820,75 cm-1 yang merupakan reduksi gugus mannuronate dari alginat. Hal ini menunjukan bahwa alginat telah terikat secara kimia dengan α-keratin. Adsorpsi logam Fe (3 ppm) dalam larutan dilakukan dengan variasi komposisi α-keratin:alginat secara berturut-turut sebagai berikut 1:1; 1:2; 1:3; 2:1 dan 3:1 (b/b). Hasil pengukuran menggunakan Atomic Absorption Spectroscopy (AAS) dengan metode kurva kalibrasi standar menunjukkan komposisi optimum penyerapan logam Fe (3 ppm) adalah 1:2 dengan kapasitas adsorpsi sebesar 205,64 mg/g. Hasil karakterisasi SEM pada komposit α-keratin:alginat komposisi 1:2 (b/b) yang memberikan kemampuan adsorpsi yang terbesar menunjukkan bahwa permukaan rambut manusia tidak tertutup secara menyeluruh sehingga gugus aktif dan celah-celah kecil pada komposit dapat berperan dalam proses adsorpsi logam berat besi (Fe).The Effect of α-Keratin/Alginate Bioadsorbent Composition on the Adsorption Capacity of Heavy Metal of Iron (Fe). A study of the influence of α-keratin-alginate composition on the heavy metal adsorption of Fe has been performed. The research aims to determinate the character and adsorption optimation of α-keratin/alginate composite for Fe adsorption in aqueous solution. The preparation α-keratin/alginate composite was conducted by encapsulation method in CaCl2 2% solution. The characterization of bioadsorbent was performed by Fourier Transform Infra-Red (FTIR), Scanning Electron Microscopy (SEM) and adsorption process was conducted by batch method. The FTIR result on α-keratin/alginate shows that adsorption at wavenumber of 1140-820.75 cm-1 which indicates the reduction of mannuronate group from alginate. This suggests that alginate was chemically bound with α-keratin. The adsorption of Fe (3 ppm) in the solution was carried out with variation of composition α-keratin:alginate of 1:1; 1:2; 1:3; 2:1; and 3:1 (w/w). The measurement using AAS (atomic absorption spectroscopy) with standar calibration curve method showed that optimum composition of Fe (3 ppm) adsorption was 1:2 (w/w) with adsorption capacity of 205.64 mg/g.  The SEM result on α-keratin/alginate 1:2 (w/w) which had the greatest adsorption capability shows that the surface of human hair was not completely closed thus the active groups and pores can play a role in the process of adsorption of heavy metal iron (Fe).
Pemantapan Proses Sintesis Ligan Dibutilditiokarbamat (DBDTK) Sebagai Pengekstrak Logam Gadolinium (Gd) Berdasarkan Desain Eksperimen Diana Hendrati; Erianti Siska Purnamasari; Syulastri Effendi; Santhy Wyantuti
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.15006.219-235

Abstract

Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar contrast agent dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat hasil sintesis. Penelitian ini diawali dengan pembuatan desain eksperimen untuk sintesis ligan dan ekstraksi Gd(III) dengan ligan, kemudian proses sintesis dan ekstraksi dilakukan sesuai dengan desain eksperimen, hasil sintesis dan ekstraksi dikarakterisasi menggunakan metode spektroskopi serta diuji kelarutannya dalam pelarut organik. Data yang diperoleh menunjukkan bahwa sintesis ligan dibutilditiokarbamat optimal pada suhu 4 °C, perbandingan dibutilamin dan karbondisulfida yaitu 1 : 3 dengan perbandingan mol ammonia terhadap dibutilamin yaitu 1 : 4, sedangkan kondisi optimal untuk ekstraksi Gd(III) dengan ligan yaitu pada pH 6, dengan perbandingan mol Gd(III) dan ligan yaitu 1 : 4 dan lama ekstraksi 60 menit. Oleh karena itu ligan dibutilditiokarbamat hasil sintesis berpotensi digunakan sebagai ekstraktan untuk ekstraksi Gd(III). Hasil prediksi ligan berdasarkan desain eksperimen yaitu sebesar 56,12% sedangkan prediksi ekstraksi Gd(III) dengan ligan hasil sintesis diperoleh sebesar 78,41%.The Consolidation of Dibutyldithiocarbamate (DBDTC) Synthesis as Gadolinium Metal Extraction Based On Experimental Design. Gadolinium (Gd) is one of the rare-earth elements, whereas rare-earth elements can be extracted from monazite. Gd is usually used as raw material for synthesizing contrast agent in medicine field. Dibuthyldithiocarbamate ligand can form a complex compound with metal. This ligand will bind a metal and then forming chelate which is used for extraction. The purpose of this research is to ensure procedure of dibuthyldithiocarbamate ligand synthesis based on the design of experiment and to study the characterization of reaction result between Gd(III) and dibuthyldithiocarbamate ligand which this ligand is synthesis result. This research begins with making design of experiment for ligand synthesis and Gd(III) extraction with ligand, then perform the process of synthesis and extraction according to the design of experiment, the result of synthesis and extraction were characterized by spectroscopy method and solubility tested in organic solvent. The data was collected indicate that the optimal condition of dibuthyldithiocarbamate ligan synthesis at 4 °C (temperature), the ratio of di-n-butylamine and carbon disulphide is 1:3 with the mole ratio of ammonia to the di-n-butylamine 1:4, while the optimal conditions for gadolinium extraction with ligand at pH 6, the mol ratio of gadolinium and ligand is 1:4 and 60 minutes extraction time. Hence, dibuthyldithiocarbamate ligand can be used as extractan for extracting Gd(III). The prediction of ligand based on the experimental design is 56.12% while the prediction of Gd(III) extraction with ligand of the synthesis result is obtained equal to 78.41%. The conclusion of this research is that the synthesis of dibuthyldithiocarbamate ligand based on the experimental design can be developed for large-scale synthesis.
Pengaruh Jumlah Mol Kroslinker pada Selektifitas IIP Berbasis Polieugenol terhadap Fe(III) Muhammad Cholid Djunaidi; Abdul Haris; Pardoyo Pardoyo; Rosdiana K
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.12426.291-302

Abstract

Sintesis Ionic Imprinted Polymer (IIP) dilakukan dengan variasi penambahan crosslinker PEGDE (Polyethylene glycol diglycidilether) yang kemudian diuji selektivitas IIP terhadap ion logam Fe melalui proses adsorpsi. IIP merupakan metode mencetak ion logam yang terikat dalam polimer, selanjutnya dilepaskan dari matriks polimer menghasilkan cetakan yang sesuai terhadap ion target. Tujuan penelitian ini untuk menghasilkan IIP dan NIP dari polieugenol dengan variasi penambahan crosslinker PEGDE perbandingan sebanyak  1, 2 dan 3 mol, mengetahui pengaruh jumlah mol crosslinker terhadap selektivitas adsorpsi IIP yang melibatkan rongga imprint/cetakan, serta mengetahui pengaruh logam kompetitor terhadap selektivitas adsorpsi IIP terhadap logam Fe. Selektivitas adsorpsi ion logam Fe(III) dengan penambahan crosslinker PEDGE 3 mol lebih besar dibandingkan dengan penambahan crosslinker PEGDE 1 dan 2 mol. Selektivitas adsorpsi Fe lebih besar pada Fe-Cr dibandingkan dengan Fe-Cd dan Fe-Pb.Influence of Crosslinker Mole Amount on the Selectivity IIP-Based Polyeugenol Towards Fe(III). The synthesis of IIP (Ionic Imprinted Polymer) was carried out using PEGDE (Polyethylene glycol diglycidilether) crosslinker addition in various moles which was then tested for IIP selectivity for Fe metal ions through the adsorption process. IIP is a method of metal ions printing which are bound in a polymer, then released from the polymer matrix to produce a suitable mold for the target ion. The purposes of this study were to produce IIP and non imprinted polymer (NIP) from polyeugenol with the addition of various moles of PEGDE crosslinkers as much as 1, 2 and 3 moles, and to determine the effect of the number of mole crosslinkers on the selectivity of IIP adsorption involving imprint/mold cavities, and the effect of competitor metals on IIP adsorption selectivity towards Fe metal. The selectivity of Fe (III) metal ion adsorption with the addition of 3 mole PEDGE crosslinkers was greater than the addition of 1 and 2 moles PEGDE crosslinkers. The selectivity of Fe adsorption is was greater in Fe-Cr compared to Fe-Cd and Fe-Pb.
Sintesis dan Karakterisasi Silika Abu Ampas Tebu Termodifikasi Arginin sebagai Adsorben Ion Logam Cu(II) Candra Purnawan; Tri Martini; Ima Puspita Rini
ALCHEMY Jurnal Penelitian Kimia Vol 14, No 2 (2018): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.14.2.19512.334-349

Abstract

Telah dilakukan penelitian tentang sintesis dan karakterisasi silika dari abu ampas tebu termodifikasi arginin dengan senyawa penggandeng glisidoksipropiltrimetoksisilan (GPTMS) sebagai adsorben ion logam Cu(II). Penelitian ini bertujuan untuk mengetahui karakterisasi silika abu ampas tebu termodifikasi arginin dengan senyawa penggandeng GPTMS sebagai adsorben ion logam Cu(II). Sintesis silika termodifikasi arginin dengan senyawa penggandeng GPTMS dilakukan dengan metode sol-gel. Adsorben tersebut dikarakterisasi dengan XRD, FTIR dan SAA. Uji kemampuan adsorpsi dilakukan menggunakan metode batch dengan larutan ion logam Cu(II), variasi pH, waktu kontak dan konsentrasi. Hasil penelitian menunjukkan perubahan difraktogram XRD pada silika termodifikasi dan silika abu ampas tebu (silika AAT). Difraktogram menunjukkan puncak melebar pada 2θ sebesar 10-15° dan 20-25°. Analisis FTIR menunjukkan Serapan baru –CH, ̶ NH tekuk, ̶ CN berturut-turut pada daerah 2947, 1570, dan 1356 cm-1. Analisis SAA menunjukkan peningkatan luas permukaan pada silika termodifikasi arginin daripada silika dari 64,31 m2/g menjadi 382,67 m2/g. Kondisi terbaik adsorpsi ion logam Cu(II) dengan adsorben silika termodifikasi arginin terjadi pada pH 6 dengan waktu kontak 45 menit. Silika termodifikasi arginin mengalami peningkatan kapasitas adsorpsi dibandingkan silika dengan kapasitas adsorpsi yaitu dari 0,12 mg/g menjadi 0,52 mg/g. Isoterm adsorpsi ion logam Cu(II) lebih dominan mengikuti isoterm Langmuir dengan r = 0,997.Synthesis and Characterization of Arginine-Modified Silica from Baggase Ash as Cu(II) Ions Adsorbent. The synthesis and characterization of arginine modified silica from bagasse ash with crosslinker glycydoxypropyltrimethoxyxylane (GPTMS) as an adsorbent for Cu (II) ions has been studied. This research aimed to determine the characterization of arginine modified silica with crosslinker GPTMS as an adsorbent for Cu(II) ions. Synthesis arginine modified silica with crosslinker GPTMS was conducted using sol-gel method. The adsorbent was characterized by XRD, FTIR and SAA. Adsorption ability test conducted using the batch method with a solution of Cu(II) ions, variation of pH, contact time and concentration. The results showed the change in the XRD diffractogram of arginine modified silica from bagasse (silica ATT). XRD diffractogram releaved broad peaks at 2θ 10-15° and 20-25°. FTIR analysis showed a new absorption -CH, -NH bending, -C-N on area of 2947, 1570, and 1356 cm-1, respectively SAA analysis showed that the arginine-modified silica with crosslinker GPTMS has higher surface area than silica from 64.31 m2/g to 382.67 m2/g. The best conditions for copper adsorption with adsorbent arginine modified silica occured at pH 6 with a contact time of 45 minutes. Arginine modified silica has higher adsorption capacity than silica with a adsorption capacity from 0.12 mg/g to 0.52 mg/g. Adsorption of Cu (II) metal ions more dominantly follows Langmuir isotherms with r = 0.997. 
Analisis Transisi Fasa dan Sifat Dielektrik Pada Li2CoSiO4 yang Dipreparasi dari Silika Sekam Padi dan Produk Daur Ulang Katoda Baterai Ion Litium Bekas Agus Riyanto; Simon Sembiring; Megawati Megawati; Ni’matil Mabarroh; Junaidi Junaidi; Ediman Ginting
ALCHEMY Jurnal Penelitian Kimia Vol 15, No 1 (2019): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.15.1.24622.89-103

Abstract

Studi ini mendeskripsikan analisis transisi fasa dan sifat dielektrik pada bahan litium kobalt silikat (Li2CoSiO4) yang dipreparasi dari silika sekam padi dan produk daur ulang katoda baterai ion litium bekas dengan perbandingan massa 1:1. Transisi fasa pada sampel Li2CoSiO4 dipelajari menggunakan teknik termogravimetry/differential thermal analysis (TG/DTA). Sedangkan, nilai konstanta dielektrik pada sampel yang telah disinter pada suhu 600 – 900 oC dikarakterisasi menggunakan inductance, capacitance, dan resistance (LCR) meter. Hasilnya, pada rentang suhu 410 – 850 oC terjadi transisi polimorfik fasa  menjadi fasa . Suhu 850 oC juga merupakan titik transisi dimana fasa  berubah menjadi fasa . Transisi fasa yang terjadi pada sampel  Li2CoSiO4 diikuti dengan peningkatan nilai konstanta dielektrik dalam rentang frekuensi 450 – 100.000 Hz.Analysis of Phase Transition and Dielectric Properties of Li2CoSiO4 Prepared from Rice Husk Silica and The Recycling Product of Used Lithium Ion Batteries Cathode. This study describes the analysis of the phase transition and dielectric properties of lithium cobalt silicate (Li2CoSiO4) prepared from rice husk silica and the recycling product of used lithium ion batteries cathode with mass ratio of 1:1. Phase transition in Li2CoSiO4 sample was studied using thermogravimetry/differential thermal analysis (TG/DTA) techniques. Meanwhile, the dielectric constant value in the samples sintered at temperature of 600 – 900 oC were characterized using inductance, capacitance, and resistance (LCR) meter. As a result, a polymorphic transition from  phase to  phase was occured in the temperature range of 410 ­– 850 oC. Temperature of 850 oC is a transition point from  phase to  phase. The phase transitions occured in the Li2CoSiO4 was followed by the increasing of the dielectric constant in the frequency range of 450 – 100,000 Hz.
Metabolit Sekunder dari Muntingia calabura dan Bioaktivitasnya Devi Anggraini Putri; Sri Fatmawati
ALCHEMY Jurnal Penelitian Kimia Vol 15, No 1 (2019): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (261.487 KB) | DOI: 10.20961/alchemy.15.1.23362.57-78

Abstract

Muntingia calabura (Muntingiaceae) merupakan Jamaican cherry yang dikenal di Indonesia sebagai Kersen atau Talok. Metabolit sekunder sebagai konstituen kimia telah diisolasi dari daun, batang dan akar M. calabura. Flavonoid merupakan konstituen utama penyusun metabolit sekunder dari tanaman ini. Kelompok flavonoid telah dilaporkan memiliki efek farmakologi yang baik. Beberapa literatur melaporkan bioaktivitas M. calabura sebagai antioksidan, antidiabetes, antimikroba, antikanker, anti-inflamasi dan lain-lain. Review ini bertujuan memberikan fakta ilmiah terkait sinergitas metabolit sekunder dan bioaktivitas M. calabura yang diperlukan untuk penelitian kimia bahan alam lebih lanjut.The secondary metabolites of Muntingia calabura and its bioactivity. Muntingia calabura (Mutingiaceae) was recognized as Jamaican cherry called as Kersen or Talok in Indonesia. The chemical constituents have been isolated from leave, stem and root of M. calabura. The main chemical constituent of the secondary metabolite is flavonoid. The flavonoid group has been reported as a good source in pharmacological aspect. Most of literatures reported that M. calabura has a good bioactivity as an antioxidant, antidiabetic, antimicrobial, anticancer, anti-inflammatory and others. This review aims to provide the scientific evidences related to the synergism of secondary metabolites and the bioactivities of M. calabura for further research on natural products.
Studi In Silico Metabolit Sekunder Kapang Monascus sp. sebagai Kandidat Obat Antikolesterol dan Antikanker Marlia Singgih; Benny Permana; Selvira Anandia Intan Maulidya; Anna Yuliana
ALCHEMY Jurnal Penelitian Kimia Vol 15, No 1 (2019): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (83.745 KB) | DOI: 10.20961/alchemy.15.1.25294.104-123

Abstract

Kapang Monascus sp. secara tradisional telah digunakan dalam fermentasi beras merah (angkak) yang bermanfaat sebagai pewarna makanan, pengawet makanan maupun obat-obatan. Saat ini, beras angkak telah menjadi suplemen makanan yang terkenal karena banyaknya senyawa bioaktif yang terkandung seperti monakolin, pigmen, asam dimerumat dan lain-lain. Tujuan penelitian ini adalah untuk menemukan metabolit sekunder kapang Monascus sp. yang meliputi senyawa monakolin dengan efek antikolesterol, pigmen dengan efek antikanker pada kanker payudara serta memprediksi toksisitas senyawa melalui studi in silico. Senyawa uji terdiri dari 14 senyawa monakolin dan 33 pigmen Monascus sp. Protein HMG KoA (3-hidroksi-3-metilglutaril koenzim A) reduktase digunakan sebagai reseptor antikolesterol sementara estrogen alfa, estrogen beta, dan aromatase digunakan sebagai reseptor antikanker. Perangkat lunak AutoDock digunakan untuk menganalisis kompleks struktural reseptor dengan senyawa uji. Prediksi toksisitas dilakukan menggunakan perangkat lunak ADMET predictor dan QSAR Toolbox. Prediksi toksisitas dan hasil docking menunjukkan bahwa asam monakolin L menunjukkan aktivitas antikolesterol yang baik terhadap HMG KoA reduktase; pigmen monaskin menunjukkan aktivitas antikanker yang selektif terhadap reseptor estrogen beta; dan keduanya diprediksi aman. Prediksi toksisitas senyawa monakolin dan pigmen Monascus sp. menunjukkan terdapat 7 senyawa monakolin yaitu 3-hidroksi-3,5-dihidromonakolin L, asam dihidromonakolin L, monakolin L, asam monakolin J, monakolin J, asam monakolin L , monakolin M, dan 5 pigmen Monascus sp. yaitu ankaflavin, monaskin, monaskopiridin A, monaskopiridin B dan monascuspiloin yang dinyatakan tidak toksik. Tujuh pigmen Monascus sp. yang terdiri dari monankarin A, monankarin B, monankarin C, monankarin D, monankarin E, monankarin F, dan monasfluol A bersifat positif mutagen, karsinogen dan toksik terhadap reproduksi. Hasil penelitian ini berpotensi dapat diaplikasikan untuk desain dan pengembangan obat antikolesterol dan antikanker.In Silico Study of Secondary Metabolites of Monascus sp. as A Candidate for Anticholesterol and Anticancer Drugs. The fungus Monascus sp. has traditionally been used to prepare red fermented rice (angkak) as a natural food colorant, food preservative or medicinal agent. Recently, it has become a popular dietary supplement due to many of its bioactive constituents such as monacolin compounds, pigments, and dimerumic acid, etc. These functional constituents also had been deemed to be provided with various health benefits. This research aims to find secondary metabolites of monacolin compounds with antihypercholesterolemic effect, Monascus sp. pigment with anticancer effect on breast cancer, and predict their toxicity through in silico study. The studied compounds consist of 14 monacolin compounds and 33 Monascus sp. pigments. HMG CoA (3-hydroxy-3-methylglutaryl Coenzyme A) reductase protein was used as antihypercholesterolemic receptor in which estrogen alfa, estrogen beta, and aromatase were used as anticancer receptors. AutoDock docking software was used to analyze structural complexes of the receptors with studied compounds. Toxicity prediction was done using ADMET predictor and QSAR Toolbox softwares. Toxicity prediction and docking results revealed that monacolin L acid exhibits good anticholesterol activity towards HMG CoA reductase; monascin pigment exhibits selective anticancer activity towards estrogen beta receptor; and both of them were predicted to be safe. Toxicity prediction of studied compounds showed that 7 monacolin compounds which are 3-hydroxy-3,5-dihydromonakolin L, dihydromonacolin L acid, monacolin L, monacolin J acid, monacolin J, monacolin L acid, monacolin M and 5 Monascus sp. pigments which are ankaflavin, monascin, monascopyridine A, monascopyridine B dan monascuspiloin are not toxic. Seven Monascus sp. pigments which are monankarin A, monankarin B, monankarin C, monankarin D, monankarin E, monankarin F and monasfluol A are mutagenic, carcinogenic and also reprotoxic. The research results could be useful for the design and development of the anticholesterol and anticancer drugs.

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